5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile

C14H17FN2O — CID 63978241

IUPAC5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile
SMILESCOCC1CCN(c2ccc(F)cc2C#N)CC1
InChIInChI=1S/C14H17FN2O/c1-18-10-11-4-6-17(7-5-11)14-3-2-13(15)8-12(14)9-16/h2-3,8,11H,4-7,10H2,1H3
InChIKeyLBOBAMMFVVYEGY-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.56
Rot. Bonds3

About 5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile

5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile (PubChem CID 63978241) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile
PubChem CID63978241
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile
SMILESCOCC1CCN(c2ccc(F)cc2C#N)CC1
InChIInChI=1S/C14H17FN2O/c1-18-10-11-4-6-17(7-5-11)14-3-2-13(15)8-12(14)9-16/h2-3,8,11H,4-7,10H2,1H3
InChIKeyLBOBAMMFVVYEGY-UHFFFAOYSA-N
XLogP2.56
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(bromomethyl)-4-fluorophenyl]-4-(methoxymethyl)piperidine
CID 107083831
5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]aniline
CID 63971118
2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile
CID 23293075
5-fluoro-2-(3-methoxypyrrolidin-1-yl)benzonitrile
CID 103533377
methyl 1-(2-cyano-4-fluorophenyl)piperidine-4-carboxylate
CID 63673144
5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzenecarbothioamide
CID 63978435
5-fluoro-2-(4-piperidin-1-ylpiperidin-1-yl)benzonitrile
CID 63668522
4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzonitrile
CID 81282003
3-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,4,6-trimethylbenzoic acid;hydrochloride
CID 161011467
5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)benzonitrile
CID 63667343
2-(4-acetylpiperazin-1-yl)-5-fluorobenzonitrile
CID 63669542
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-5-fluorobenzonitrile
CID 113284896

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile?
The IUPAC name of 5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile (CID 63978241) is 5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile.
What is the SMILES notation for 5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile?
The canonical SMILES for 5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile is COCC1CCN(c2ccc(F)cc2C#N)CC1.
What is the InChIKey of 5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile?
The InChIKey is LBOBAMMFVVYEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-18-10-11-4-6-17(7-5-11)14-3-2-13(15)8-12(14)9-16/h2-3,8,11H,4-7,10H2,1H3.
What are the key properties of 5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile?
5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile has a molecular weight of 248.30 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile is sourced from PubChem (CID 63978241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).